Table 3. Docking analysis scores for native and mutant (R131W, R131Q, and R203C) complexes from the HADDOCK server.
Protein complexes | Binding Score | Van der Waals energy (kcal/mol) | Electrostatic energy (kcal/mol) | Desolvation Energy(kcal/mol) |
---|---|---|---|---|
Native | -279.34 | -154.1 | -657 | 3.4 |
R131Q | -276.45 | -140.6 | -654 | -1.22 |
R131W | -277.56 | -142.1 | -654 | -1.32 |
R203C | -273.33 | -144.33 | -649 | -1.38 |